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Motivated by recent experiments probing the wavefunctions of magic-angle twisted bilayer graphene (tBLG), we perform large-scale first-principles calculations of tBLG with full atomic relaxation across a wide range of twist angles down to…

Mesoscale and Nanoscale Physics · Physics 2026-02-16 Albert Zhu , Daniel Bennett , Daniel T. Larson , Mohammed M. Al Ezzi , Efstratios Manousakis , Efthimios Kaxiras

The interplay between interlayer van der Waals interaction and intralayer lattice distortion can lead to structural reconstruction in slightly twisted bilayer graphene (TBG) with the twist angle being smaller than a characteristic angle…

Mesoscale and Nanoscale Physics · Physics 2020-07-07 Yi-Wen Liu , Ying Su , Xiao-Feng Zhou , Long-Jing Yin , Chao Yan , Si-Yu Li , Wei Yan , Sheng Han , Zhong-Qiu Fu , Yu Zhang , Qian Yang , Ya-Ning Ren , Lin He

The folding of monolayer graphene leads to new layered systems, termed twisted bilayer graphene (TBG), generally displaying a certain interlayer rotation away from crystallographic alignment. We here present an atomic force microscopy study…

Materials Science · Physics 2016-08-30 Johannes C. Rode , Christopher Belke , Hennrik Schmidt , Rolf J. Haug

The nature of correlated states in twisted bilayer graphene (TBG) at the magic angle has received intense attention in recent years. We present a numerical study of an interacting Bistritzer-MacDonald (IBM) model of TBG using a suite of…

We use self-consistent Hartree-Fock calculations performed in the full $\pi$-band Hilbert space to assess the nature of the recently discovered correlated insulator states in magic-angle twisted bilayer graphene (TBG). We find that gaps…

Strongly Correlated Electrons · Physics 2020-03-11 Ming Xie , Allan H. MacDonald

Twisted bilayer graphene (TBG) is known for exhibiting highly correlated phases at magic angles due to the emergence of flat bands that enhance electron-electron interactions. In the TBG chiral model, electronic wave function properties…

Mesoscale and Nanoscale Physics · Physics 2023-09-15 Leonardo A. Navarro-Labastida , Gerardo G. Naumis

In a groundbreaking experimental advance it was recently shown that by stacking two sheets of graphene atop of each other at a twist angle close to one of the so called "magic angles", an effective two-dimensional correlated system emerges.…

Mesoscale and Nanoscale Physics · Physics 2019-10-01 Lede Xian , Dante M. Kennes , Nicolas Tancogne-Dejean , Massimo Altarelli , Angel Rubio

Twisted bilayer graphene (TBG) provides a unique framework to elucidate the interplay between strong correlations and topological phenomena in two-dimensional systems. The existence of multiple electronic degrees of freedom -- charge, spin,…

Strongly Correlated Electrons · Physics 2021-01-27 Yuan Da Liao , Jian Kang , Clara N. Breiø , Xiao Yan Xu , Han-Qing Wu , Brian M. Andersen , Rafael M. Fernandes , Zi Yang Meng

The electronic properties of van der Waals (vdW) structures can be substantially modified by the moire superlattice potential, which strongly depends on the twist angle among the compounds. In twisted bilayer graphene (TBG), two low-energy…

Materials Science · Physics 2020-12-02 Ya-Ning Ren , Yu Zhang , Yi-Wen Liu , Lin He

The mechanism of charge carrier interaction in twisted bilayer graphene (TBG) remains an unresolved problem, where some researchers proposed the dominance of the electron-phonon interaction, while the others showed evidence for…

Mesoscale and Nanoscale Physics · Physics 2021-06-02 E. F. Talantsev

In moir\'e graphene systems, electronic interactions lift spin and valley degeneracies, leading to symmetry-broken ground states. In helical trilayer graphene (HTG), we uncover a distinct interaction-driven mechanism in which the roles of…

Motivated by the observation of polarization superlattices in twisted multilayers of hexagonal boron nitride ($h$-BN), we address the possibility of using these heterostructures for tailoring the properties of multilayer graphene by means…

Mesoscale and Nanoscale Physics · Physics 2023-05-29 Marta Brzezińska , Oleg V. Yazyev

Magic-angle ($\theta=1.05^\circ$) twisted bilayer graphene (MATBG) has shown two seemingly contradictory characters: the localization and quantum-dot-like behavior in STM experiments, and delocalization in transport experiments. We…

Strongly Correlated Electrons · Physics 2023-01-12 Zhi-Da Song , B. Andrei Bernevig

The recent discovery of correlated insulator states and superconductivity in magic-angle twisted bilayer graphene has paved the way to the experimental investigation of electronic correlations in tunable flat band systems realized in…

We investigate the electronic structure of alternating-twist triple Bernal-stacked bilayer graphene (t3BG) as a function of interlayer coupling $\omega$, twist angle $\theta$, interlayer potential difference $\Delta$, and top-bottom…

Mesoscale and Nanoscale Physics · Physics 2022-06-22 Jiseon Shin , Bheema Lingam Chittari , Yunsu Jang , Hongki Min , Jeil Jung

One- and two-dimensional bilayer systems are examples of ultra-tunable quantum materials that are considered as the basis for the new generation of electronic and photonic devices. Here we develop a general theory of the electron band…

Mesoscale and Nanoscale Physics · Physics 2022-06-22 D. V. Chalin , D. I. Levshov , A. E. Myasnikova , S. B. Rochal

Twisted bilayer graphene (TBG) represents a highly tunable, strongly correlated electron system owed to its unique flat electronic bands. However, understanding the single-particle band structure alone has been challenging due to complex…

Flatbands with extremely narrow bandwidths on the order of a few mili-electron volts can appear in twisted multilayer graphene systems for appropriate system parameters. Here we investigate the electronic structure of a twisted bi-bilayer…

Mesoscale and Nanoscale Physics · Physics 2019-06-24 Narasimha Raju Chebrolu , Bheema Lingam Chittari , Jeil Jung

We derive electronic structure models for weakly interacting bilayers such as graphene-graphene and graphene-hexagonal boron nitride, based on density functional theory calculations followed by Wannier transformation of electronic states.…

Mesoscale and Nanoscale Physics · Physics 2016-06-28 Shiang Fang , Efthimios Kaxiras

Twisted bilayer graphene (TBG) hosts a rich landscape of electronic phases arising from the interplay between strong electron-electron interactions and nontrivial band topology. While the flat bands near zero energy are central to many…

Mesoscale and Nanoscale Physics · Physics 2026-02-16 Leonardo A. Navarro-Labastida , Pierre A. Pantaleon , Francisco Guinea , Gerardo G. Naumis